11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride

C16H11Cl2FN2 — CID 10519777

IUPAC11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESC[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(F)cc3c21.[Cl-]
InChIInChI=1S/C16H10ClFN2.ClH/c1-20-13-5-3-2-4-10(13)14(17)15-16(20)11-8-9(18)6-7-12(11)19-15;/h2-8H,1H3;1H
InChIKeySIQHABKBZBMWRR-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.10
Rot. Bonds

About 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride

11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride (PubChem CID 10519777) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride.

Molecular Properties

Compound Name11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
PubChem CID10519777
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESC[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(F)cc3c21.[Cl-]
InChIInChI=1S/C16H10ClFN2.ClH/c1-20-13-5-3-2-4-10(13)14(17)15-16(20)11-8-9(18)6-7-12(11)19-15;/h2-8H,1H3;1H
InChIKeySIQHABKBZBMWRR-UHFFFAOYSA-N
XLogP1.10
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
CID 67598449
2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium
CID 10649164
5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 67597321
5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 71681954
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
CID 44581611
2-fluoro-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 58939138
7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 53325746
N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
CID 25132222
3-chloro-5-fluoro-1H-indole-2-carbonitrile
CID 67516423
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 70812593
4-(4-fluorophenyl)sulfanyl-1-methylquinolin-1-ium-2-ol
CID 143635577

Frequently Asked Questions

What is the IUPAC name of 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The IUPAC name of 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride (CID 10519777) is 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride.
What is the SMILES notation for 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The canonical SMILES for 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride is C[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(F)cc3c21.[Cl-].
What is the InChIKey of 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The InChIKey is SIQHABKBZBMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2.ClH/c1-20-13-5-3-2-4-10(13)14(17)15-16(20)11-8-9(18)6-7-12(11)19-15;/h2-8H,1H3;1H.
What are the key properties of 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride has a molecular weight of 321.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride is sourced from PubChem (CID 10519777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).